1-methoxy-4-(3-methylpentan-2-yl)benzene

C13H20O — CID 138976766

IUPAC1-methoxy-4-(3-methylpentan-2-yl)benzene
SMILESCCC(C)C(C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O/c1-5-10(2)11(3)12-6-8-13(14-4)9-7-12/h6-11H,5H2,1-4H3
InChIKeyGJWRHMLBTGDJJQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds4

About 1-methoxy-4-(3-methylpentan-2-yl)benzene

1-methoxy-4-(3-methylpentan-2-yl)benzene (PubChem CID 138976766) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-methoxy-4-(3-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3-methylpentan-2-yl)benzene
PubChem CID138976766
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-methoxy-4-(3-methylpentan-2-yl)benzene
SMILESCCC(C)C(C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O/c1-5-10(2)11(3)12-6-8-13(14-4)9-7-12/h6-11H,5H2,1-4H3
InChIKeyGJWRHMLBTGDJJQ-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylbutan-2-yl)-4-methoxybenzene
CID 83932073
3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 81016213
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-[(1S,2R,3S)-1,2-diethyl-3-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 124824625
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
1-(1-butan-2-yloxyethyl)-4-methoxybenzene
CID 101479468

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-methylpentan-2-yl)benzene?
The IUPAC name of 1-methoxy-4-(3-methylpentan-2-yl)benzene (CID 138976766) is 1-methoxy-4-(3-methylpentan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(3-methylpentan-2-yl)benzene?
The canonical SMILES for 1-methoxy-4-(3-methylpentan-2-yl)benzene is CCC(C)C(C)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(3-methylpentan-2-yl)benzene?
The InChIKey is GJWRHMLBTGDJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-10(2)11(3)12-6-8-13(14-4)9-7-12/h6-11H,5H2,1-4H3.
What are the key properties of 1-methoxy-4-(3-methylpentan-2-yl)benzene?
1-methoxy-4-(3-methylpentan-2-yl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-methylpentan-2-yl)benzene is sourced from PubChem (CID 138976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).